3-(benzenesulfonyl)-6-chloro-4-pyrrolidin-1-ylquinoline
Formula:C19H17N2O2ClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
3-(benzenesulfonyl)-6-chloro-4-pyrrolidin-1-ylquinoline is a drug-like molecule.
| MolName | 3-(benzenesulfonyl)-6-chloro-4-pyrrolidin-1-ylquinoline |
| MolecularFormula | C19H17N2O2ClS |
| Smiles | O=S(c1ccccc1)(c1cnc(ccc(Cl)c2)c2c1N1CCCC1)=O |
| InChI | InChI=1S/C19H17ClN2O2S/c20-14-8-9-17-16(12-14)19(22-10-4-5-11-22)18(13-21-17)25(23,24)15-6-2-1-3-7-15/h1-3,6-9,12-13H,4-5,10-11H2 |
| InChIK | BELFOTPDHUMVJX-UHFFFAOYSA-N |
| TotalMolweight | 372.875 |
| Molweight | 372.875 |
| MonoisotopicMass | 372.069925 |
| CLogP | 3.7778 |
| CLogS | -5.316 |
| H Acceptors | 4 |
| TotalSurfaceArea | 262.22 |
| Relative PSA | 0.16437 |
| PolarSurfaceArea | 58.65 |
| Druglikeness | -6.1456 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 6 |
| Symmetricatoms | 5 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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